CAS
927802-90-2 Purity
96%
927802-90-2 Purity
96%
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Ethyl 4-chlorobutyrate-d6
CAS
927810-76-2
Catalog Number
ACM927810762
Category
Other Products
Molecular Weight
156.64
Molecular Formula
C6H5D6ClO2
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Specification
Synonyms
4-Chloro-butanoic Acid Ethyl Ester-d6; 4-Chloro-butyric Acid Ethyl Ester-d6; Ethyl γ-Chlorobutyrate-d6; Ethyl ω-Chlorobutyrate-d6; NSC 81215-d6
IUPAC Name
ethyl 4-chloro-2,2,3,3,4,4-hexadeuteriobutanoate
Canonical SMILES
CCOC(=O)CCCCl
InChI Key
OPXNFHAILOHHFO-RUJHVMJGSA-N
Appearance
Colourless Oil
Exact Mass
150.04500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Ethyl 4-chlorobutyrate-d6?
The molecular formula of Ethyl 4-chlorobutyrate-d6 is C6H11ClO2.
How much does Ethyl 4-chlorobutyrate-d6 weigh?
Ethyl 4-chlorobutyrate-d6 weighs 156.64 g/mol.
What is the IUPAC name of Ethyl 4-chlorobutyrate-d6?
The IUPAC name of Ethyl 4-chlorobutyrate-d6 is ethyl 4-chloro-2,2,3,3,4,4-hexadeuteriobutanoate.
What is the InChI of Ethyl 4-chlorobutyrate-d6?
The InChI of Ethyl 4-chlorobutyrate-d6 is InChI=1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3/i3D2,4D2,5D2.
What is the InChIKey of Ethyl 4-chlorobutyrate-d6?
The InChIKey of Ethyl 4-chlorobutyrate-d6 is OPXNFHAILOHHFO-RUJHVMJGSA-N.
What is the canonical SMILES of Ethyl 4-chlorobutyrate-d6?
The canonical SMILES of Ethyl 4-chlorobutyrate-d6 is CCOC(=O)CCCCl.
How many hydrogen bond donor counts does Ethyl 4-chlorobutyrate-d6 have?
Ethyl 4-chlorobutyrate-d6 has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Ethyl 4-chlorobutyrate-d6 have?
Ethyl 4-chlorobutyrate-d6 has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does Ethyl 4-chlorobutyrate-d6 have?
Ethyl 4-chlorobutyrate-d6 has 5 rotatable bond counts.
Is Ethyl 4-chlorobutyrate-d6 a canonicalized compound?
Yes, Ethyl 4-chlorobutyrate-d6 is a canonicalized compound.
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